SCHEMBL8636822

SCHEMBL8636822

O=S(=O)(Nc1cc(C(F)(F)F)nn1-c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.55
PTGS2 P35354 9/20 0.54
PTGS1 P23219 5/20 0.54
ALDH1A1 P00352 1/20 0.51
TRPC3 Q13507 1/20 0.49
CYP2C9 P11712 1/20 0.48
NR3C1 P04150 1/20 0.48
AR P10275 1/20 0.48
KCNJ6 P48051 1/20 0.47
KCNJ5 P48544 1/20 0.47
KCNJ3 P48549 1/20 0.47
POLB P06746 1/20 0.47
OXTR P30559 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8694140 0.92 ALDH1A1 (0.59) PPARGPTGS2PTGS1ALDH1A1TRPC3
SCHEMBL8688557 0.89 PTGS2 (0.52) PTGS2PTGS1ALDH1A1TRPC3CYP2C9
SCHEMBL8693708 0.86 POLB (0.67) PTGS2PTGS1ALDH1A1TRPC3CYP2C9
SCHEMBL8689312 0.81 PPARG (0.51) PPARGPTGS2PTGS1ALDH1A1CYP2C9
SCHEMBL8506431 0.79 PPARG (0.48) PPARGALDH1A1NR3C1AROXTR
SCHEMBL8500983 0.77 PPARG (0.42) PPARGALDH1A1CYP2C9NR3C1AR
SCHEMBL27955904 0.76 PTGS2 (0.51) PTGS2PTGS1CYP2C9KCNJ6KCNJ5
Hydrochloric Acid SCHEMBL27955937 0.74 PTGS2 (0.50) PTGS2PTGS1CYP2C9KCNJ6KCNJ5
SCHEMBL1781529 0.74 KCNJ6 (0.54) KCNJ6KCNJ5KCNJ3POLB
SCHEMBL8691662 0.73 ALDH1A1 (0.57) PPARGPTGS2PTGS1ALDH1A1CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US claimed
EP-0856055-A1 STREPTAVIDIN MUTANTS TRUSTEES OF BOSTON UNIVERSITY (US) 1998-08-05 EP disclosed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
WO-1997011183-A1 STREPTAVIDIN MUTANTS TRUSTEES OF BOSTON UNIVERSITY (US) 1997-03-27 WO disclosed
US-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed